(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C26H29Cl2N5O2S — CID 155774385

About (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 155774385) has the molecular formula C26H29Cl2N5O2S and a molecular weight of 546.52 g/mol. Its IUPAC name is (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 155774385
• Molecular Formula: C26H29Cl2N5O2S
• Molecular Weight: 546.52 g/mol
• Exact Mass: 545.14
• IUPAC Name: (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)[S@@](=O)N[C@@H]1c2ccccc2CC12CCN(c1cnc(Oc3ccnc(Cl)c3Cl)cn1)CC2
• InChI: InChI=1S/C26H29Cl2N5O2S/c1-25(2,3)36(34)32-23-18-7-5-4-6-17(18)14-26(23)9-12-33(13-10-26)20-15-31-21(16-30-20)35-19-8-11-29-24(28)22(19)27/h4-8,11,15-16,23,32H,9-10,12-14H2,1-3H3/t23-,36-/m1/s1
• InChIKey: GGWMAOFIYVSSCT-MBXDFBHOSA-N
• XLogP: 5.91
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.52
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 155774385) is (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1c2ccccc2CC12CCN(c1cnc(Oc3ccnc(Cl)c3Cl)cn1)CC2.

What is the InChIKey of (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is GGWMAOFIYVSSCT-MBXDFBHOSA-N. The full InChI is InChI=1S/C26H29Cl2N5O2S/c1-25(2,3)36(34)32-23-18-7-5-4-6-17(18)14-26(23)9-12-33(13-10-26)20-15-31-21(16-30-20)35-19-8-11-29-24(28)22(19)27/h4-8,11,15-16,23,32H,9-10,12-14H2,1-3H3/t23-,36-/m1/s1.

What are the key properties of (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 546.52 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155774385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).